0 B10R1.17 BrCCCC1=CN=CC=C1 8653AC [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 C#CCNC1=CC=CC=C1 6094AD [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 COCOC1=CC=CC=C1 0189AF [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 N#CNCC1=CN=CC=C1 6277AD [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 NC\C=C\C1=CC=CC=C1 5624AE [0,0,0,0,0,0|2,0,2]=4 5 B9R1.8 C#C[I+]C1=CC=CC=C1 7930AL [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,0,0,0,0,0|1,0,2]=4 7 B9R1.8 ClC#CC1=CC=CC=C1 0032AQ [1,0,0,0,0,0|1,0,2]=4 8 B9R1.8 ClCCC1=CC=NC=C1 2738AB [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 ClCCC1=CN=CC=C1 5261AB [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 IC#CC1=CC=CC=C1 0175AQ [1,0,0,0,0,0|1,0,2]=4 12 B9R1.8 NNCC1=CC=CC=N1 4874AC [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 O=C=NC1=CC=NC=C1 Z2906 [1,0,0,0,0,0|1,1,0]=3 14 B9R1.8 O=CCC1=CC=CN=C1 5877AB [1,0,0,0,0,0|1,1,1]=4 15 B9R1.8 O\N=C/C1=CC=CC=C1 9354AB [1,0,0,0,0,0|0,1,1]=3 16 B11R1.1 C=CCCC1=CC=C(Br)C=C1 4835AD [0,1,0,0,0,0|2,0,1]=4 17 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 9629AD [0,1,0,0,0,0|2,0,1]=4 18 B11R1.1 CCOCC1=CC=C(O)C=C1 Z4904 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.1 CNCCC1=CC=C(C)C=C1 1463AB [0,1,0,0,0,0|3,0,0]=4 20 B11R1.1 N#CNCC1=CC=C(Cl)C=C1 0136AE [0,1,0,0,0,0|1,0,2]=4 21 B11R1.1 NC1=CC=C(CCCO)C=C1 2833AC [0,1,0,0,0,0|1,1,1]=4 22 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 1755AC [0,1,0,0,0,0|1,1,1]=4 23 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [0,1,0,0,0,0|2,0,1]=4 24 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 1033AL [0,1,0,0,0,0|2,0,1]=4 25 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 2792AC [0,1,0,0,0,0|1,1,1]=4 26 B11R1.17 C=CCCC1=C(Br)C=CC=C1 8652AE [0,1,0,0,0,0|2,0,1]=4 27 B11R1.17 C=CCCC1=C(Cl)C=CC=C1 9630AD [0,1,0,0,0,0|2,0,1]=4 28 B11R1.17 C=CCCC1=CC=CC=C1F 8653AE [0,1,0,0,0,0|2,0,1]=4 29 B11R1.17 CC1=CC=CC=C1CCC=O 6596AD [0,1,0,0,0,0|1,1,1]=4 30 B11R1.17 CCNCC1=C(O)C=CC=C1 5372AJ [0,1,0,0,0,0|1,0,2]=4 31 B11R1.17 CNCCC1=C(Cl)C=CC=C1 4940AE [0,1,0,0,0,0|3,0,0]=4 32 B11R1.17 CNCCC1=CC=CC=C1C 9270AE [0,1,0,0,0,0|3,0,0]=4 33 B11R1.17 N#CCCC1=CC=CC=C1Cl 1363AC [0,1,0,0,0,0|2,0,1]=4 34 B11R1.17 NCCCC1=C(Br)C=CC=C1 5612AJ [0,1,0,0,0,0|2,0,1]=4 35 B11R1.17 NCCCC1=CC=CC=C1Cl 6271AD [0,1,0,0,0,0|2,0,1]=4 36 B11R1.17 O=CCCC1=CC=CC=C1Cl 7894AA [0,1,0,0,0,0|1,1,1]=4 37 B11R1.24 CC1=CC(CCC=O)=CC=C1 4286AF [0,1,0,0,0,0|1,1,1]=4 38 B11R1.24 CNCCC1=CC(Br)=CC=C1 9730AE [0,1,0,0,0,0|3,0,0]=4 39 B11R1.24 N#CCCC1=CC(F)=CC=C1 2070AB [0,1,0,0,0,0|2,0,1]=4 40 B11R1.24 N#CCCC1=CC=CC(Cl)=C1 1006AB [0,1,0,0,0,0|2,0,1]=4 41 B11R1.24 O=CNCC1=CC=CC(F)=C1 W3915 [0,1,0,0,0,0|0,1,2]=4 42 B11R1.28 CC#CCNC1=CC=CC=C1 0461AD [0,1,0,0,0,0|2,0,1]=4 43 B11R1.40 O=C(CF)CC1=CC=CC=C1 7647AA [0,1,0,0,0,0|2,0,1]=4 44 B11R1.40 O=C(CO)CC1=CC=CC=C1 6761AB [0,1,0,0,0,0|1,1,1]=4 45 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [0,1,0,0,0,0|2,0,1]=4 46 B11R1.91 CC(=O)\N=N\C1=CC=CC=C1 3867AD [0,1,0,0,0,0|1,1,1]=4 47 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [0,0,0,1,0,0|2,0,1]=4 48 B11R2.1 O=C1N=NC2=CC=CC=C12 8326AB [0,0,0,1,0,0|1,1,1]=4 49 B11R2.1 OC1OCC2=C1C=CC=C2 8920AB [0,0,0,1,0,0|1,1,1]=4 50 B11R2.20 C1=CC2=C(C=C1)CNCC2 1479AL [0,0,0,1,0,0|1,0,2]=4 51 B11R2.239 C1=CC=C(C2CNC2)C=C1 2383AJ [0,0,0,1,0,0|3,0,0]=4 52 B11R2.239 C1=CC=C(C2CNC2)C=C1 6027AB [0,0,0,1,0,0|3,0,0]=4 53 B11R2.239 C1=CC=C(C2COC2)C=C1 0754AA [0,0,0,1,0,0|3,0,0]=4 54 B11R2.988 N#CC1CC2=C1C=CC=C2 8027AE [0,0,0,1,0,0|2,0,1]=4 55 B11R2.988 O=CC1CC2=CC=CC=C21 9778AE [0,0,0,1,0,0|1,1,1]=4 56 B8R1.2 ClCC1=CC=CC=N1 V2306 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.2 OCC1=CC=NC=C1 D932 [2,0,0,0,0,0|1,1,0]=4 58 B8R1.2 OCC1=NC=CC=C1 D931 [2,0,0,0,0,0|1,1,0]=4 59 B10R1.1 CC1=CC=C(N=[N+]=[N-])C=C1 0054AQ [1,1,0,0,0,0|2,0,0]=4 60 B10R1.1 CC1=NC=C(N=C=O)C=C1 Z2986 [1,1,0,0,0,0|1,1,0]=4 61 B10R1.1 [N-]=[N+]=NC1=CC=C(Br)C=C1 0041AQ [1,1,0,0,0,0|2,0,0]=4 62 B10R1.1 [N-]=[N+]=NC1=CC=C(Cl)C=C1 0043AQ [1,1,0,0,0,0|2,0,0]=4 63 B10R1.1 [N-]=[N+]=NC1=CC=C(F)C=C1 0045AQ [1,1,0,0,0,0|2,0,0]=4 64 B10R1.4 C=CCC1=C(Cl)C=CC=C1 7969AA [1,1,0,0,0,0|1,0,1]=4 65 B10R1.4 C=CCC1=C(F)C=CC=C1 5696AE [1,1,0,0,0,0|1,0,1]=4 66 B10R1.4 CC1=CC=CC=C1CC=O 7409AC [1,1,0,0,0,0|0,1,1]=4 67 B10R1.4 CC1=CC=CC=C1N=[N+]=[N-] 0050AQ [1,1,0,0,0,0|2,0,0]=4 68 B10R1.4 NOCC1=CC=CC=C1Br 7199AB [1,1,0,0,0,0|2,0,0]=4 69 B10R1.4 O=CCC1=CC=CC=C1Br X2126 [1,1,0,0,0,0|0,1,1]=4 70 B10R1.4 O=CCC1=CC=CC=C1Cl 5867AB [1,1,0,0,0,0|0,1,1]=4 71 B10R1.10 C=CCC1=CC(O)=CC=C1 5771AJ [1,1,0,0,0,0|1,0,1]=4 72 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [1,1,0,0,0,0|1,0,1]=4 73 B10R1.10 CC1=CC(CC=O)=CC=C1 8853AE [1,1,0,0,0,0|0,1,1]=4 74 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [1,1,0,0,0,0|1,0,1]=4 75 B10R1.10 N#CCC1=CC(N)=CC=C1 2233AA [1,1,0,0,0,0|1,0,1]=4 76 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.10 NOCC1=CC(Br)=CC=C1 7993AA [1,1,0,0,0,0|2,0,0]=4 78 B10R1.10 O=CCC1=CC(Cl)=CC=C1 3014AE [1,1,0,0,0,0|0,1,1]=4 79 B10R1.10 O=CCC1=CC(F)=CC=C1 9224AE [1,1,0,0,0,0|0,1,1]=4 80 B10R1.10 O=CCC1=CC=CC(Br)=C1 Y7020 [1,1,0,0,0,0|0,1,1]=4 81 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [1,1,0,0,0,0|0,1,1]=4 82 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 2803AB [1,1,0,0,0,0|1,0,1]=4 83 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [1,1,0,0,0,0|1,0,1]=4 84 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [1,1,0,0,0,0|1,0,1]=4 85 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [1,1,0,0,0,0|0,1,1]=4 86 B12R1.71 N#CC1=CC=C(CN=[N+]=[N-])C=C1 0179AQ [0,2,0,0,0,0|2,0,0]=4